Task 38681812

Name test_856-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND1298_0
Workunit 31623462
Created 27 Oct 2026, 5:27:53 UTC
Sent 27 Oct 2026, 5:27:59 UTC
Report deadline 1 Nov 2026, 5:27:59 UTC
Received 27 Oct 2026, 6:21:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652326
Run time 23 min 16 sec
CPU time 22 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 33,165.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.63 MB
Peak swap size 13.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:53:27 (17692): wrapper (7.9.26016): starting
14:53:27 (17692): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
14:53:28 (17692): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:53:28 (17692): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\2\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
14:57:11 (23392): wrapper (7.9.26016): starting
14:57:11 (23392): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
&#199;&#207;&#192;&#167; &#181;&#240;&#183;&#186;&#197;&#205;&#184;&#174; &#182;&#199;&#180;&#194; &#198;&#196;&#192;&#207; C:\ProgramData\BOINC\slots\2\tmp&#192;&#204;(&#176;&#161;) &#192;&#204;&#185;&#204; &#192;&#214;&#189;&#192;&#180;&#207;&#180;&#217;.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
15:20:27 (23392): C:/Windows/system32/cmd.exe exited; CPU time 1348.015625
15:20:27 (23392): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 27216302 bytes.
Dumping objects ->
{1580} normal block at 0x000001D9980A5AF0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1569} normal block at 0x000001D9980A5850, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1558} normal block at 0x000001D9980A5A80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{1547} normal block at 0x000001D9980A5A10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1536} normal block at 0x000001D9980A5D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{1505} normal block at 0x000001D9980A4120, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{1494} normal block at 0x000001D99808B570, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {1491} normal block at 0x000001D9980A4CA0, 8 bytes long.
 Data: <  e     > 00 00 65 98 D9 01 00 00 
{892} normal block at 0x000001D99808C110, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{307} normal block at 0x000001D9980A4B10, 8 bytes long.
 Data: < <      > A0 3C 0A 98 D9 01 00 00 
{298} normal block at 0x000001D9980957E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001D9980A4E80, 16 bytes long.
 Data: < V              > 98 56 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001D9980A43E0, 16 bytes long.
 Data: <pV              > 70 56 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001D99809EDE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001D9980A4DE0, 16 bytes long.
 Data: <HV              > 48 56 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001D9980A4660, 16 bytes long.
 Data: < V              > 20 56 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001D9980A4C00, 16 bytes long.
 Data: < U              > F8 55 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001D9980A4BB0, 16 bytes long.
 Data: < U              > D0 55 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001D9980A57E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001D9980A4AC0, 16 bytes long.
 Data: <                > 08 B5 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001D99809F8C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001D9980A4D40, 16 bytes long.
 Data: <                > E0 B4 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001D9980A4A20, 16 bytes long.
 Data: <                > B8 B4 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001D9980A4A70, 16 bytes long.
 Data: <                > 90 B4 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001D9980A47A0, 16 bytes long.
 Data: <h               > 68 B4 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001D9980A4FC0, 16 bytes long.
 Data: <@               > 40 B4 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001D9980A5100, 16 bytes long.
 Data: <                > 18 B4 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001D99809FB00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001D9980A44D0, 16 bytes long.
 Data: <                > F0 B3 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001D99808B3F0, 320 bytes long.
 Data: < D              > D0 44 0A 98 D9 01 00 00 00 FB 09 98 D9 01 00 00 
{277} normal block at 0x000001D9980A4C50, 16 bytes long.
 Data: < U              > B0 55 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001D9980A49D0, 16 bytes long.
 Data: < U              > 88 55 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001D99809F2C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001D9980A5010, 16 bytes long.
 Data: <`U              > 60 55 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001D99809F200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001D9980A48E0, 16 bytes long.
 Data: < T              > A8 54 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001D9980A4F70, 16 bytes long.
 Data: < T              > 80 54 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001D9980A4340, 16 bytes long.
 Data: <XT              > 58 54 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001D9980A4520, 16 bytes long.
 Data: <0T              > 30 54 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001D9980A4D90, 16 bytes long.
 Data: < T              > 08 54 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001D9980A4ED0, 16 bytes long.
 Data: < S              > E0 53 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001D9980A4390, 16 bytes long.
 Data: <                > 00 E4 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001D99808E400, 40 bytes long.
 Data: < C       A      > 90 43 0A 98 D9 01 00 00 20 41 0A 98 D9 01 00 00 
{263} normal block at 0x000001D9980A4B60, 16 bytes long.
 Data: < S              > C0 53 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001D9980A4CF0, 16 bytes long.
 Data: < S              > 98 53 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001D99809F440, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001D9980A4750, 16 bytes long.
 Data: <pS              > 70 53 0A 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001D9980A5370, 992 bytes long.
 Data: <PG      @       > 50 47 0A 98 D9 01 00 00 40 F4 09 98 D9 01 00 00 
{95} normal block at 0x000001D99809FB60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001D99809EBC0, 16 bytes long.
 Data: <@               > 40 EE 08 98 D9 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001D99808EE40, 40 bytes long.
 Data: <        `       > C0 EB 09 98 D9 01 00 00 60 FB 09 98 D9 01 00 00 
{70} normal block at 0x000001D99809E1C0, 16 bytes long.
 Data: <   g            > 80 EA DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001D99809DEF0, 16 bytes long.
 Data: <@  g            > 40 E9 DD 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001D99809E0D0, 16 bytes long.
 Data: < W g            > F8 57 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001D99809E350, 16 bytes long.
 Data: < W g            > D8 57 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001D99809EA80, 16 bytes long.
 Data: <P  g            > 50 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001D99809E2B0, 16 bytes long.
 Data: <0  g            > 30 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001D99809DDB0, 16 bytes long.
 Data: <   g            > E0 02 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001D99809E760, 16 bytes long.
 Data: <   g            > 10 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001D99809E080, 16 bytes long.
 Data: <p  g            > 70 04 DA 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001D99809E210, 16 bytes long.
 Data: <   g            > 18 C0 D8 67 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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